Catalog No.:AA006Q4G

91182-00-2 | 4-Ethylamino-3-nitro-benzoic acid ethyl ester

Name: Name:4-Ethylamino-3-nitro-benzoic acid ethyl ester
Brand: AABLOCKS
SKU: AA006Q4G
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Technical Information
Properties
Downstream Synthesis Route
Literature
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Technical Information
Properties
Downstream Synthesis Route
Literature

Technical Information

Catalog Number:

AA006Q4G

Chemical Name:

4-Ethylamino-3-nitro-benzoic acid ethyl ester

CAS Number:

91182-00-2

Molecular Formula:

C11H14N2O4

Molecular Weight:

238.2399

MDL Number:

MFCD03147222

SMILES:

CCOC(=O)c1ccc(c(c1)[N+](=O)[O-])NCC

Properties

Storage:

Room Temperature;

Computed Properties

Complexity:

277

Covalently-Bonded Unit Count:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Rotatable Bond Count:

XLogP3:

2.9

Downstream Synthesis Route

16588-16-2

75-04-7

91182-00-2

[1]HeterocyclicCommunications,2001,vol.7,p.455-460

[2]Patent:US10766888,2020,B1.Locationinpatent:Page/Pagecolumn114

Literature

Title: 4-Ethyl-amino-3-nitro-benzoic acid.

Journal: Acta crystallographica. Section E, Structure reports online 20090501

Title: Ethyl 4-ethyl-amino-3-nitro-benzoate.

Journal: Acta crystallographica. Section E, Structure reports online 20090201

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SDS